2-[[7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenol
Internal ID | 3d233c0b-412c-40c3-bc57-aa11bf376ed3 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
IUPAC Name | 2-[[7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenol |
SMILES (Canonical) | CC12CCCC(C1CC(CC2)C(C)(C)O)(C)OC3=C(C=C(C=C3OC4=CC=C(C=C4)CC=C)CC=C)O |
SMILES (Isomeric) | CC12CCCC(C1CC(CC2)C(C)(C)O)(C)OC3=C(C=C(C=C3OC4=CC=C(C=C4)CC=C)CC=C)O |
InChI | InChI=1S/C33H44O4/c1-7-10-23-12-14-26(15-13-23)36-28-21-24(11-8-2)20-27(34)30(28)37-33(6)18-9-17-32(5)19-16-25(22-29(32)33)31(3,4)35/h7-8,12-15,20-21,25,29,34-35H,1-2,9-11,16-19,22H2,3-6H3 |
InChI Key | AGBYBGPUAJZWDY-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C33H44O4 |
Molecular Weight | 504.70 g/mol |
Exact Mass | 504.32395988 g/mol |
Topological Polar Surface Area (TPSA) | 58.90 Ų |
XlogP | 8.60 |
There are no found synonyms. |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
No proven targets yet! |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.55% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.32% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.40% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 94.02% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.35% | 97.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.30% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.88% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 92.67% | 91.49% |
CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 91.09% | 97.31% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.97% | 94.45% |
CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 90.39% | 96.09% |
CHEMBL240 | Q12809 | HERG | 90.35% | 89.76% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.87% | 92.94% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.85% | 92.62% |
CHEMBL2243 | O00519 | Anandamide amidohydrolase | 88.79% | 97.53% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.50% | 91.03% |
CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 87.93% | 91.43% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.11% | 94.75% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.51% | 90.00% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.42% | 97.05% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.06% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.47% | 94.00% |
CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 83.40% | 96.69% |
CHEMBL2039 | P27338 | Monoamine oxidase B | 83.09% | 92.51% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.00% | 95.17% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.90% | 99.17% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.50% | 93.99% |
CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.61% | 85.49% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.41% | 83.57% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.92% | 89.00% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.19% | 91.07% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Magnolia obovata |
PubChem | 14432030 |
LOTUS | LTS0060385 |
wikiData | Q104911694 |